UCSF

ZINC19908821

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 35 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.69 8.58 -10.83 2 5 0 52 469.629 8
Mid Mid (pH 6-8) 4.69 10.93 -46.59 3 5 1 53 470.637 8
Mid Mid (pH 6-8) 4.69 10.97 -40.05 3 5 1 53 470.637 8

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )